N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide

C21H28N4O2S — CID 7435130

IUPACN-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
SMILESCC[C@@H](C)N(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C21H28N4O2S/c1-3-15(2)25(21(27)18-14-28-24-23-18)19(16-10-6-4-7-11-16)20(26)22-17-12-8-5-9-13-17/h4,6-7,10-11,14-15,17,19H,3,5,8-9,12-13H2,1-2H3,(H,22,26)/t15-,19-/m1/s1
InChIKeyLLTSNBGHWVDVIV-DNVCBOLYSA-N
MW400.55 g/mol
LogP3.97
Rot. Bonds7

About N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide

N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide (PubChem CID 7435130) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
PubChem CID7435130
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC NameN-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
SMILESCC[C@@H](C)N(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C21H28N4O2S/c1-3-15(2)25(21(27)18-14-28-24-23-18)19(16-10-6-4-7-11-16)20(26)22-17-12-8-5-9-13-17/h4,6-7,10-11,14-15,17,19H,3,5,8-9,12-13H2,1-2H3,(H,22,26)/t15-,19-/m1/s1
InChIKeyLLTSNBGHWVDVIV-DNVCBOLYSA-N
XLogP3.97
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide with MolForge

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Related Compounds

N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3219206
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 7404338
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7434931
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 3219361
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 1467656
N-[(2S)-butan-2-yl]-N-[(1S)-1-(2-chloro-6-fluorophenyl)-2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 51508307
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3221783
N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 25410089
N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222027
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410432
N-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 3219469
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 25410205

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide (CID 7435130) is N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide is CC[C@@H](C)N(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide?
The InChIKey is LLTSNBGHWVDVIV-DNVCBOLYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-3-15(2)25(21(27)18-14-28-24-23-18)19(16-10-6-4-7-11-16)20(26)22-17-12-8-5-9-13-17/h4,6-7,10-11,14-15,17,19H,3,5,8-9,12-13H2,1-2H3,(H,22,26)/t15-,19-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide?
N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide has a molecular weight of 400.55 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 7435130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).